(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride

C9H12ClN3O2S — CID 3061886

IUPAC(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride
SMILESCC1=NS(=O)(=O)c2ccc(CN)cc2N1.Cl
InChIInChI=1S/C9H11N3O2S.ClH/c1-6-11-8-4-7(5-10)2-3-9(8)15(13,14)12-6;/h2-4H,5,10H2,1H3,(H,11,12);1H
InChIKeyJXVVFBYMAHZDTP-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.10
Rot. Bonds1

About (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride

(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride (PubChem CID 3061886) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride
PubChem CID3061886
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride
SMILESCC1=NS(=O)(=O)c2ccc(CN)cc2N1.Cl
InChIInChI=1S/C9H11N3O2S.ClH/c1-6-11-8-4-7(5-10)2-3-9(8)15(13,14)12-6;/h2-4H,5,10H2,1H3,(H,11,12);1H
InChIKeyJXVVFBYMAHZDTP-UHFFFAOYSA-N
XLogP1.10
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride with MolForge

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Related Compounds

2H-1,2,4-Benzothiadiazine, 3-methyl-, 1,1-dioxide
CID 67760
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-methyl-2-methylsulfonylaniline
CID 10221005
4H-1,2,4-Benzothiadiazine, 3-methyl-6-trifluoromethyl-, 1,1-dioxide
CID 69760
N-[2,2,2-trifluoro-N-(3-methylphenyl)ethanimidoyl]benzenesulfonamide
CID 6852774
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfonyl-5-(trifluoromethyl)aniline
CID 11059195
6-aminomethyl-3-methyl-4H-1,2,4-benzothiadiazine 1,1-dioxide
CID 121929
3-(4-fluorophenyl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 4132406
2H-1,2,4-Benzothiadiazine-3-methanamine, 1,1-dioxide
CID 199850
4-[(3-Fluorophenyl)methyl]-3-methyl-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 4275514
3-[(E)-2-phenylethenyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 6288420
(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-8-yl)methanamine
CID 12921360
N,N-dimethyl-1-(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine
CID 12921362

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride?
The IUPAC name of (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride (CID 3061886) is (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride?
The canonical SMILES for (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride is CC1=NS(=O)(=O)c2ccc(CN)cc2N1.Cl.
What is the InChIKey of (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride?
The InChIKey is JXVVFBYMAHZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S.ClH/c1-6-11-8-4-7(5-10)2-3-9(8)15(13,14)12-6;/h2-4H,5,10H2,1H3,(H,11,12);1H.
What are the key properties of (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride?
(3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride has a molecular weight of 261.73 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-6-yl)methanamine;hydrochloride is sourced from PubChem (CID 3061886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).